Core 2 glycan structure

Cross-references

GlyTouCan : G90829NZ

GlyGen : G90829NZ

ChEBI : -

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Composition

Hex:5 HexNAc:5 dHex:3

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IUPAC

Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)]Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:b-dglc-HEX-1:5
5s:n-acetyl
6b:b-dgal-HEX-1:5
7b:b-dglc-HEX-1:5
8s:n-acetyl
9b:b-dgal-HEX-1:5
10b:a-lgal-HEX-1:5|6:d
11b:b-dglc-HEX-1:5
12s:n-acetyl
13b:b-dgal-HEX-1:5
14b:a-lgal-HEX-1:5|6:d
15b:b-dglc-HEX-1:5
16s:n-acetyl
17b:b-dgal-HEX-1:5
18b:a-lgal-HEX-1:5|6:d
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(3+1)4d
4:4d(2+1)5n
5:4o(4+1)6d
6:6o(3+1)7d
7:7d(2+1)8n
8:7o(4+1)9d
9:9o(2+1)10d
10:6o(6+1)11d
11:11d(2+1)12n
12:11o(4+1)13d
13:13o(2+1)14d
14:1o(6+1)15d
15:15d(2+1)16n
16:15o(4+1)17d
17:17o(2+1)18d

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--4b1D-Gal,p--2a1L-Fuc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--2a1L-Fuc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--2a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

LFucpa1-2DGalpb1-4DGlcpNAcb1-3[LFucpa1-2DGalpb1-4DGlcpNAcb1-6]DGalpb1-4DGlcpNAcb1-3DGalpb1-3[LFucpa1-2DGalpb1-4DGlcpNAcb1-6]DGalpNAca1-OH

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)O)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O)NC(=O)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)CO)CO)O)O)O)O)O

InCHI key

VDAAHHYHYPYLJK-WNXYTCPHSA-N

InCHI

InChI=1S/C88H147N5O63/c1-19-42(107)55(120)61(126)81(134-19)154-73-58(123)45(110)27(9-94)139-86(73)148-67-31(13-98)142-77(37(51(67)116)89-22(4)102)132-17-35-49(114)70(41(76(131)137-35)93-26(8)106)151-84-64(129)71(48(113)30(12-97)138-84)152-79-39(91-24(6)104)53(118)66(33(15-100)144-79)147-85-65(130)72(153-80-40(92-25(7)105)54(119)69(34(16-101)145-80)150-88-75(60(125)47(112)29(11-96)141-88)156-83-63(128)57(122)44(109)21(3)136-83)50(115)36(146-85)18-133-78-38(90-23(5)103)52(117)68(32(14-99)143-78)149-87-74(59(124)46(111)28(10-95)140-87)155-82-62(127)56(121)43(108)20(2)135-82/h19-21,27-88,94-101,107-131H,9-18H2,1-8H3,(H,89,102)(H,90,103)(H,91,104)(H,92,105)(H,93,106)/t19-,20-,21-,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71-,72-,73+,74+,75+,76-,77+,78+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-/m0/s1